Author

José Rogério A. Silva

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Open access Oct 2026

Triple Combination Therapy: A Promising Path Forward against β-Lactamase-Mediated Resistance

The silent pandemic of antimicrobial resistance (AMR) continues to drive global morbidity and mortality. Resistance is often mediated by co-expression of serine β-lactamases (SBLs) and metallo-β-lactamases (MBLs), limiting treatment options. While several SBL inhibitors are clinically available, MBL inhibitors are ye...

Nakita Reddy, José Rogério A. Silva, P. Arvidsson et al. · Journal of Medicinal Chemist... · 0 citations

#explainable ai Open access Sep 2026

Molecular modeling design of antitrypanosomal pyrazolone derivatives targeting Chagas disease: QSAR, docking, molecular dynamics and free energy calculations

These findings support pyrazolones as antitrypanosomal scaffolds and provide structural hypotheses for future experimental validation against Cz, suggesting that contacts with S2/S3 subsite residues and conformational adaptability may contribute to Cz recognition but do not, alone, explain whole-cell potency.

Karen Karla F. Sousa, A. Barbosa, F. Cardoso et al. · Journal of Molecular Modelin... · 0 citations